2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide

C162H202FN17O35 — CID 159889203

IUPAC2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide
SMILESCC(NC(=O)CN1CCOCC1)C(=O)CC(Cc1ccc(F)cn1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.CC(NC(=O)CN1CCOCC1)C(=O)CC(Cc1ccccn1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.COc1ccc(CC(CC(=O)C(CO)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(COCc2ccccc2)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)CNC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1
InChIInChI=1S/C39H47N3O8.C32H41N3O8.C31H39N3O7.C30H37FN4O6.C30H38N4O6/c1-39(27-50-39)37(45)33(22-28-9-5-3-6-10-28)41-38(46)31(21-29-13-15-32(47-2)16-14-29)23-35(43)34(26-49-25-30-11-7-4-8-12-30)40-36(44)24-42-17-19-48-20-18-42;1-32(21-43-32)30(39)26(17-22-6-4-3-5-7-22)34-31(40)24(16-23-8-10-25(41-2)11-9-23)18-28(37)27(20-36)33-29(38)19-35-12-14-42-15-13-35;1-31(21-41-31)29(37)27(17-22-6-4-3-5-7-22)33-30(38)24(16-23-8-10-26(39-2)11-9-23)18-25(35)19-32-28(36)20-34-12-14-40-15-13-34;1-20(33-27(37)18-35-10-12-40-13-11-35)26(36)16-22(15-24-9-8-23(31)17-32-24)29(39)34-25(28(38)30(2)19-41-30)14-21-6-4-3-5-7-21;1-21(32-27(36)19-34-12-14-39-15-13-34)26(35)18-23(17-24-10-6-7-11-31-24)29(38)33-25(28(37)30(2)20-40-30)16-22-8-4-3-5-9-22/h3-16,31,33-34H,17-27H2,1-2H3,(H,40,44)(H,41,46);3-11,24,26-27,36H,12-21H2,1-2H3,(H,33,38)(H,34,40);3-11,24,27H,12-21H2,1-2H3,(H,32,36)(H,33,38);3-9,17,20,22,25H,10-16,18-19H2,1-2H3,(H,33,37)(H,34,39);3-11,21,23,25H,12-20H2,1-2H3,(H,32,36)(H,33,38)
InChIKeyNUNHTANETKSEOV-UHFFFAOYSA-N
MW2966.48 g/mol
LogP7.37
Rot. Bonds78

About 2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide

2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide (PubChem CID 159889203) has the molecular formula C162H202FN17O35 and a molecular weight of 2966.48 g/mol. Its IUPAC name is 2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide
PubChem CID159889203
Molecular FormulaC162H202FN17O35
Molecular Weight2966.48 g/mol
Exact Mass2964.45
IUPAC Name2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide
SMILESCC(NC(=O)CN1CCOCC1)C(=O)CC(Cc1ccc(F)cn1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.CC(NC(=O)CN1CCOCC1)C(=O)CC(Cc1ccccn1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.COc1ccc(CC(CC(=O)C(CO)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(COCc2ccccc2)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)CNC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1
InChIInChI=1S/C39H47N3O8.C32H41N3O8.C31H39N3O7.C30H37FN4O6.C30H38N4O6/c1-39(27-50-39)37(45)33(22-28-9-5-3-6-10-28)41-38(46)31(21-29-13-15-32(47-2)16-14-29)23-35(43)34(26-49-25-30-11-7-4-8-12-30)40-36(44)24-42-17-19-48-20-18-42;1-32(21-43-32)30(39)26(17-22-6-4-3-5-7-22)34-31(40)24(16-23-8-10-25(41-2)11-9-23)18-28(37)27(20-36)33-29(38)19-35-12-14-42-15-13-35;1-31(21-41-31)29(37)27(17-22-6-4-3-5-7-22)33-30(38)24(16-23-8-10-26(39-2)11-9-23)18-25(35)19-32-28(36)20-34-12-14-40-15-13-34;1-20(33-27(37)18-35-10-12-40-13-11-35)26(36)16-22(15-24-9-8-23(31)17-32-24)29(39)34-25(28(38)30(2)19-41-30)14-21-6-4-3-5-7-21;1-21(32-27(36)19-34-12-14-39-15-13-34)26(35)18-23(17-24-10-6-7-11-31-24)29(38)33-25(28(37)30(2)20-40-30)16-22-8-4-3-5-9-22/h3-16,31,33-34H,17-27H2,1-2H3,(H,40,44)(H,41,46);3-11,24,26-27,36H,12-21H2,1-2H3,(H,33,38)(H,34,40);3-11,24,27H,12-21H2,1-2H3,(H,32,36)(H,33,38);3-9,17,20,22,25H,10-16,18-19H2,1-2H3,(H,33,37)(H,34,39);3-11,21,23,25H,12-20H2,1-2H3,(H,32,36)(H,33,38)
InChIKeyNUNHTANETKSEOV-UHFFFAOYSA-N
XLogP7.37
TPSA669.63 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds78
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002966.48
LogP ≤ 57.37
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide with MolForge

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Launch Full Analysis

Related Compounds

4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]-N-(3-pyridin-3-ylpropanoyl)pentanamide
CID 54313614
(2R)-2-[[(6S,9R,12S,15R)-12-[(2-fluorophenyl)methyl]-4,7,10,13-tetraoxo-9-[(4-phenylphenyl)methyl]-6-(pyridin-4-ylmethyl)-2-oxa-5,8,11-triazabicyclo[15.2.2]henicosa-1(19),17,20-triene-15-carbonyl]amino]-4-phenylbutanoic acid
CID 157097446
(2R)-2-[[(6S,9R,12S,15S)-12-[(2-fluorophenyl)methyl]-4,7,10,13-tetraoxo-9-[(4-phenylphenyl)methyl]-6-(pyridin-4-ylmethyl)-2-oxa-5,8,11-triazabicyclo[15.2.2]henicosa-1(19),17,20-triene-15-carbonyl]amino]-4-phenylbutanoic acid
CID 157097447
(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(4-methoxyphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-phenylpentanamide;(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-5-pyridin-3-ylpentanamide
CID 157630651
N-[(1R,2S)-1-[(3S)-1-benzyl-2-oxopiperidin-3-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;tert-butyl (2S)-2-[(1S,2S)-2-acetamido-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropyl]-4-benzyl-3-oxopiperazine-1-carboxylate;2,2,2-trifluoroacetaldehyde
CID 159317606
tert-butyl (2S)-2-[(1S,2S)-2-acetamido-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropyl]-4-benzyl-3-oxopiperazine-1-carboxylate;tert-butyl (2S)-4-benzyl-2-[(1S,2R)-2-[(3-fluoro-5-hydroxyphenyl)methyl]-1-hydroxy-4-oxopentyl]-3-oxopiperazine-1-carboxylate;pyridin-2-ylmethanol
CID 123366070
3-[4-methoxy-3-[5-[3-[[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]amino]-2-[2-[(2-morpholin-4-ylacetyl)amino]propanoylamino]-3-oxopropyl]-3-pyridinyl]phenyl]-N-[2-(2-methyloxiran-2-yl)-2-oxo-1-phenylethyl]-2-[2-[(2-morpholin-4-ylacetyl)amino]propanoylamino]propanamide
CID 138474488
(2S)-2-[[(2S)-3-hydroxy-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]-3-(4-methoxyphenyl)-N-[(2S)-1-[(2R)-2-[[4-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]morpholin-2-yl]methyl]oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]propanamide
CID 138501599
N-[3-[2-[2-[3-[[3-(cyclopenten-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-2-[[3-hydroxy-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]-3-oxopropyl]-5-methoxyphenyl]-6-bicyclo[3.1.0]hexanyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-3-[4-methoxy-3-[2-[2-[[3-(2-methoxy-4-pyridinyl)-2-[2-[(2-morpholin-4-ylacetyl)amino]propanoylamino]propanoyl]amino]-3-(2-methyloxiran-2-yl)-3-oxopropyl]cyclopent-2-en-1-yl]phenyl]-2-[2-[(2-morpholin-4-ylacetyl)amino]propanoylamino]propanamide
CID 146588075
2-(cyanomethyl)-N-[5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;N-[3-(cyclohexen-1-yl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-5-(oxetan-3-yl)-4-oxopentanamide;N-[5-(cyclopenten-1-ylmethyl)-1-(4-ethyl-3-hydroxyphenyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[5-(cyclopenten-1-ylmethyl)-1-(6-methoxy-3-pyridinyl)-6-(2-methyloxiran-2-yl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;N-[5-(cyclopenten-1-ylmethyl)-6-(2-methyloxiran-2-yl)-1-(1-methyl-2-oxo-4-pyridinyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide
CID 157168833
N-[3-[3-[(2S,3S)-2-acetamido-3-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-hydroxypropyl]phenyl]phenyl]acetamide;N-[(1S,2S)-3-[3-(3-aminophenyl)phenyl]-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(3-ethylphenyl)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-[3-(3-methoxyphenyl)phenyl]propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-3-ylphenyl)propan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-(3-pyridin-4-ylphenyl)propan-2-yl]acetamide;methane
CID 157403683
(2R,5S)-N-[(2S)-3-(cyclohexen-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-2-[(4-methoxyphenyl)methyl]-5-[(2-morpholin-4-ylacetyl)amino]-5-(oxetan-3-yl)-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-(3-morpholin-4-yl-2-oxopropyl)pent-4-ynamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(2-methoxy-4-pyridinyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(6-methoxy-3-pyridinyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-6-[(2R)-2-methyloxiran-2-yl]-1-(1-methyl-2-oxo-4-pyridinyl)-3,6-dioxohexan-2-yl]-2-methyl-5-morpholin-4-yl-4-oxopentanamide
CID 157483185

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide?
The IUPAC name of 2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide (CID 159889203) is 2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide.
What is the SMILES notation for 2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide?
The canonical SMILES for 2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide is CC(NC(=O)CN1CCOCC1)C(=O)CC(Cc1ccc(F)cn1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.CC(NC(=O)CN1CCOCC1)C(=O)CC(Cc1ccccn1)C(=O)NC(Cc1ccccc1)C(=O)C1(C)CO1.COc1ccc(CC(CC(=O)C(CO)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)C(COCc2ccccc2)NC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.COc1ccc(CC(CC(=O)CNC(=O)CN2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)C2(C)CO2)cc1.
What is the InChIKey of 2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide?
The InChIKey is NUNHTANETKSEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47N3O8.C32H41N3O8.C31H39N3O7.C30H37FN4O6.C30H38N4O6/c1-39(27-50-39)37(45)33(22-28-9-5-3-6-10-28)41-38(46)31(21-29-13-15-32(47-2)16-14-29)23-35(43)34(26-49-25-30-11-7-4-8-12-30)40-36(44)24-42-17-19-48-20-18-42;1-32(21-43-32)30(39)26(17-22-6-4-3-5-7-22)34-31(40)24(16-23-8-10-25(41-2)11-9-23)18-28(37)27(20-36)33-29(38)19-35-12-14-42-15-13-35;1-31(21-41-31)29(37)27(17-22-6-4-3-5-7-22)33-30(38)24(16-23-8-10-26(39-2)11-9-23)18-25(35)19-32-28(36)20-34-12-14-40-15-13-34;1-20(33-27(37)18-35-10-12-40-13-11-35)26(36)16-22(15-24-9-8-23(31)17-32-24)29(39)34-25(28(38)30(2)19-41-30)14-21-6-4-3-5-7-21;1-21(32-27(36)19-34-12-14-39-15-13-34)26(35)18-23(17-24-10-6-7-11-31-24)29(38)33-25(28(37)30(2)20-40-30)16-22-8-4-3-5-9-22/h3-16,31,33-34H,17-27H2,1-2H3,(H,40,44)(H,41,46);3-11,24,26-27,36H,12-21H2,1-2H3,(H,33,38)(H,34,40);3-11,24,27H,12-21H2,1-2H3,(H,32,36)(H,33,38);3-9,17,20,22,25H,10-16,18-19H2,1-2H3,(H,33,37)(H,34,39);3-11,21,23,25H,12-20H2,1-2H3,(H,32,36)(H,33,38).
What are the key properties of 2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide?
2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide has a molecular weight of 2966.48 g/mol, XLogP of 7.37, 78 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-pyridinyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;6-hydroxy-2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxohexanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxopentanamide;2-[(4-methoxyphenyl)methyl]-N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-6-phenylmethoxyhexanamide;N-[1-(2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-2-(pyridin-2-ylmethyl)hexanamide is sourced from PubChem (CID 159889203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).